Product Name

  • Name

    4-[6-Chloro-2-(methylamino)-5-(methylthio)-4-pyrimidinyl]-1-piperazineethanol

  • EINECS
  • CAS No. 55477-27-5
  • Density 1.37g/cm3
  • Solubility
  • Melting Point
  • Formula C12H20ClN5OS
  • Boiling Point 514.6°Cat760mmHg
  • Molecular Weight 317.88
  • Flash Point 265°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 55477-27-5 (4-[6-Chloro-2-(methylamino)-5-(methylthio)-4-pyrimidinyl]-1-piperazineethanol)
  • Hazard Symbols
  • Synonyms
  • PSA 93.05000
  • LogP 0.43270

4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine Chemical Properties

Product Name: 4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine (CAS NO.55477-27-5)


Molecular Formula: C12H20ClN5OS
Molecular Weight: 317.88g/mol
Mol File: 55477-27-5.mol
Boiling point: 514.6 °C at 760 mmHg
Flash Point: 265 °C
Density: 1.37 g/cm3
Surface Tension: 71 dyne/cm
Enthalpy of Vaporization: 82.79 kJ/mol
Vapour Pressure: 2.04E-11 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 6
Structure Descriptors of 4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine (CAS NO.55477-27-5):
  IUPAC Name: 2-[4-[6-Chloro-2-(methylamino)-5-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
  Canonical SMILES: CNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)CCO
  InChI: InChI=1S/C12H20ClN5OS/c1-14-12-15-10(13)9(20-2)11(16-12)18-5-3-17(4-6-18)7-8-19/h19H,3-8H2,1-2H3,(H,14,15,16) 
  InChIKey: RGXCCTUBFMDKJO-UHFFFAOYSA-N

4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 124mg/kg (124mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.
mouse LD50 oral 525mg/kg (525mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.

4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.

4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine Specification

 4-Chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthiopyrimidine , its CAS NO. is 55477-27-5, the synonyms are 2-Methylamino-4-N-(beta-hydroxyethyl)-piperazino-6-chloro-5-methylthio-pyrimidine ; 5-25-12-00572 (Beilstein Handbook Reference) ; BRN 0891476 ; Pyrimidine, 4-chloro-6-(2-hydroxyethylpiperazino)-2-methylamino-5-methylthio .

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View